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CHEBI:63221 - N-benzoylampicillin

ChEBI IDCHEBI:63221
ChEBI NameN-benzoylampicillin
Stars
ASCII NameN-benzoylampicillin
DefinitionA penicillin that is the N-benzoyl derivative of ampicillin.
Last Modified21 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC23H23N3O5S
Net Charge0
Average Mass453.520
Monoisotopic Mass453.13584
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O5S/c1-23(2)17(22(30)31)26-20(29)16(21(26)32-23)25-19(28)15(13-9-5-3-6-10-13)24-18(27)14-11-7-4-8-12-14/h3-12,15-17,21H,1-2H3,(H,24,27)(H,25,28)(H,30,31)/t15-,16-,17+,21-/m1/s1
InChIKeyCXJJYKZWBRYMST-PZTGFMGMSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
N-benzoylampicillin (CHEBI:63221) is a penicillin (CHEBI:17334)
IUPAC Name 
6β-[(2R)-2-(benzamido)-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylic acid
Synonyms  Source
(2S,5R,6R)-6-{[(2R)-2-(benzoylamino)-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
benzoylampicillinChEBI
Citations